N-[(4-methylphenyl)methylidene]benzamide

C15H13NO — CID 4606839

IUPACN-[(4-methylphenyl)methylidene]benzamide
SMILESCc1ccc(/C=N/C(=O)c2ccccc2)cc1
InChIInChI=1S/C15H13NO/c1-12-7-9-13(10-8-12)11-16-15(17)14-5-3-2-4-6-14/h2-11H,1H3/b16-11+
InChIKeyIRHCAUBIBLXRNO-LFIBNONCSA-N
MW223.27 g/mol
LogP3.25
Rot. Bonds2

About N-[(4-methylphenyl)methylidene]benzamide

N-[(4-methylphenyl)methylidene]benzamide (PubChem CID 4606839) has the molecular formula C15H13NO and a molecular weight of 223.27 g/mol. Its IUPAC name is N-[(4-methylphenyl)methylidene]benzamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)methylidene]benzamide
PubChem CID4606839
Molecular FormulaC15H13NO
Molecular Weight223.27 g/mol
Exact Mass223.10
IUPAC NameN-[(4-methylphenyl)methylidene]benzamide
SMILESCc1ccc(/C=N/C(=O)c2ccccc2)cc1
InChIInChI=1S/C15H13NO/c1-12-7-9-13(10-8-12)11-16-15(17)14-5-3-2-4-6-14/h2-11H,1H3/b16-11+
InChIKeyIRHCAUBIBLXRNO-LFIBNONCSA-N
XLogP3.25
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-[(4-fluorophenyl)methylidene]benzamide
CID 10966224
N-(naphthalen-2-ylmethylidene)benzamide
CID 101463832
N-(dimethylaminomethylidene)benzamide;ethane
CID 90754594
N-[(2-bromophenyl)methylidene]benzamide
CID 135079268
N-(aminomethylidene)benzamide
CID 55287210
benzoic acid;4-methylbenzoic acid
CID 71272637
diphenylmethanone;(4-methylphenyl)-phenylmethanone
CID 69336781
4-[(4-methylphenyl)iminomethyl]benzoic acid
CID 3402295
benzyl N-[2-[(4-methylphenyl)methylideneamino]-2-oxoethyl]carbamate
CID 102528633
2-[(4-methylphenyl)methylidene]-1-phenylbutane-1,3-dione
CID 23267679
(3Z)-5-[(4-methylphenyl)methylideneamino]hexa-1,3,5-trien-2-ol
CID 145317832
4-methyl-N-(triphenyl-λ5-phosphanylidene)benzamide
CID 13438783

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methylidene]benzamide?
The IUPAC name of N-[(4-methylphenyl)methylidene]benzamide (CID 4606839) is N-[(4-methylphenyl)methylidene]benzamide.
What is the SMILES notation for N-[(4-methylphenyl)methylidene]benzamide?
The canonical SMILES for N-[(4-methylphenyl)methylidene]benzamide is Cc1ccc(/C=N/C(=O)c2ccccc2)cc1.
What is the InChIKey of N-[(4-methylphenyl)methylidene]benzamide?
The InChIKey is IRHCAUBIBLXRNO-LFIBNONCSA-N. The full InChI is InChI=1S/C15H13NO/c1-12-7-9-13(10-8-12)11-16-15(17)14-5-3-2-4-6-14/h2-11H,1H3/b16-11+.
What are the key properties of N-[(4-methylphenyl)methylidene]benzamide?
N-[(4-methylphenyl)methylidene]benzamide has a molecular weight of 223.27 g/mol, XLogP of 3.25, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methylidene]benzamide is sourced from PubChem (CID 4606839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).